Basic information
- CAS
457-18-1- Standard SMILES
CCOC(=O)c1ccc[n+](CC(=O)c2ccc(F)cc2)c1.[Br-]- InChIKey
KUYSWZLKMWKXME-UHFFFAOYSA-M- Molecular formula
- C16H15BrFNO3
- Average molar mass
- 368.2 g/mol
- Monoisotopic mass
- 367.02193
Names & identifiers
- Preferred name
- 3-(Ethoxycarbonyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium bromide
- IUPAC
- ethyl 1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate bromide
Names & synonyms
457-18-1DTXSID70639604NSC402769NSC-4027693-(Ethoxycarbonyl)-1-[2-(4-fluorophenyl)-2-oxoethyl]pyridin-1-ium bromide
Database identifiers
- CAS
457-18-1- PubChem CID
- 24201005
- DTXSID
DTXSID70639604
Properties
Computed structural properties
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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